Compound Detail
CHEMBL240981
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Basic Information
| ChEMBL ID | CHEMBL240981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYVQTJXYHQZWAC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
2.30
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.63 | 4.63 | 23500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 1540.0 | nM | 5.81 | Displacement of [3H](+)-pentazocine from sigma-1 receptor in rat liver homogenat... | 23414839 |
| Unchecked | IC50 | = | 23500.0 | nM | 4.63 | Antagonist activity at NMDA receptor in ICR mouse synaptoneurosome assessed as i... | 17157509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17157509 | 10.1016/j.bmc.2006.09.060 | Unchecked | 3 |
| 23414839 | 10.1016/j.bmcl.2013.01.069 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine